Compound Detail
CHEMBL420879
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Basic Information
| ChEMBL ID | CHEMBL420879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODPJCEINZKGFRL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
2.28
ALogP
6
HBA
1
HBD
77.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine kinase CHEMBL2384 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Adenosine kinase CHEMBL3589 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| IMR-32 CHEMBL614585 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine kinase | IC50 | = | 40.0 | nM | 7.4 | Evaluated in vitro for inhibitory activity against Adenosine kinase (AK) | 12166937 |
| Adenosine kinase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human cytosolic AK | 17154503 |
| IMR-32 | IC50 | = | 700.0 | nM | 6.16 | Evaluated in vitro for the inhibition of Adenosine (ADO) phosphorylation in inta... | 12166937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12166937 | 10.1021/jm020049a | Adenosine kinase | 1 |
| 12166937 | 10.1021/jm020049a | IMR-32 | 1 |
| 12166937 | 10.1021/jm020049a | Rattus norvegicus | 1 |
| 17154503 | 10.1021/jm060189a | Adenosine kinase | 1 |
Data from ChEMBL 36 via Core Engine